N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-phenothiazin-10-yl-propanamide

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-phenothiazin-10-yl-propanamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-2-yl]-3-phenothiazin-10-yl-propanamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-2-thiazolyl]-3-(10-phenothiazinyl)propanamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-phenothiazin-10-ylpropanamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-thiazol-2-yl]-3-phenothiazin-10-yl-propionamide Formula: C21H20N4O2S3 MolecularWeight: 456.6041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42)SCC(=O)N

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42)SCC(=O)N

InChI

InChI=1S/C21H20N4O2S3/c1-13-20(28-12-18(22)26)30-21(23-13)24-19(27)10-11-25-14-6-2-4-8-16(14)29-17-9-5-3-7-15(17)25/h2-9H,10-12H2,1H3,(H2,22,26)(H,23,24,27)